#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udm n SER 2 N 0.00 2.04 0.29 1.61 2.88 -1.26 -4.35 113.62 114.84 1udm n SER 2 Ca 0.00 -2.21 -0.17 0.00 -1.33 0.00 0.00 58.87 55.16 1udm n SER 2 Cb 0.00 -0.50 -0.09 0.00 -0.75 0.00 0.00 64.21 62.87 1udm n SER 2 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1udm h GLU 3 N 0.99 -0.94 -6.44 -1.46 4.39 -2.05 -3.39 114.58 105.69 1udm h GLU 3 Ca 0.00 0.06 -0.57 0.00 0.34 0.00 0.00 59.36 59.20 1udm h GLU 3 Cb 0.80 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 1udm h GLU 3 CO 0.11 -0.62 1.03 0.20 -1.16 0.00 0.00 179.01 178.56 1udm s GLY 4 N -2.04 1.23 0.01 -3.84 0.00 -1.26 -4.97 107.32 96.45 1udm s GLY 4 Ca -0.17 -0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 1udm s GLY 4 CO 0.57 2.70 1.49 0.00 0.00 0.00 0.00 173.10 177.86 1udm s ALA 5 N 4.94 3.62 -0.58 3.20 0.00 -1.26 -4.97 121.76 126.71 1udm s ALA 5 Ca 0.60 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 53.33 1udm s ALA 5 Cb -0.16 -3.64 0.09 0.00 0.00 0.00 0.00 23.12 19.41 1udm s ALA 5 CO 0.28 -1.03 0.73 0.00 0.00 0.00 0.00 175.76 175.74 1udm s ALA 6 N 2.67 3.36 -0.04 0.00 0.00 -1.26 -4.89 121.76 121.60 1udm s ALA 6 Ca 0.67 -2.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1udm s ALA 6 Cb -0.34 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1udm s ALA 6 CO 0.28 -2.34 0.20 -0.08 0.00 0.00 0.00 175.76 173.82 1udm s THR 7 N 2.89 0.04 0.15 0.00 -1.32 -1.26 -5.06 115.64 111.08 1udm s THR 7 Ca 0.14 -0.35 -0.31 0.00 -1.21 0.00 0.00 61.69 59.96 1udm s THR 7 Cb -0.22 -0.40 -0.08 0.00 -1.51 0.00 0.00 72.50 70.29 1udm s THR 7 CO 0.08 -0.19 1.54 0.24 -2.21 0.00 0.00 174.62 174.08 1udm h MET 8 N 4.90 -0.05 -6.68 7.08 2.86 -1.99 -3.41 114.93 117.64 1udm h MET 8 Ca -0.28 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.82 1udm h MET 8 Cb 1.19 0.01 0.22 0.00 0.06 0.00 0.00 31.60 33.08 1udm h MET 8 CO 0.39 -0.04 -0.72 0.00 1.06 0.00 0.00 176.91 177.61 1udm n ALA 9 N -3.22 -2.85 -2.76 6.32 0.00 -1.26 -4.98 120.51 111.76 1udm n ALA 9 Ca 0.01 -0.58 -0.35 0.00 0.00 0.00 0.00 53.44 52.52 1udm n ALA 9 Cb 0.27 -1.72 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 1udm n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 10 N -2.30 4.69 0.39 0.00 2.01 -1.26 -5.00 115.64 114.18 1udm s THR 10 Ca 0.56 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.53 1udm s THR 10 Cb -0.22 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 1udm s THR 10 CO 0.68 0.60 0.03 -0.54 -0.69 0.00 0.00 174.62 174.70 1udm s LYS 11 N -0.81 2.00 -0.00 4.92 -0.14 -1.23 -5.06 119.74 119.43 1udm s LYS 11 Ca 0.13 -2.00 0.02 0.00 -1.36 0.00 0.00 55.97 52.75 1udm s LYS 11 Cb -0.12 -1.74 -0.00 0.00 -1.68 0.00 0.00 37.83 34.29 1udm s LYS 11 CO 0.03 -0.01 -0.05 -1.50 -0.76 0.00 0.00 175.35 173.05 1udm s ILE 12 N -2.66 0.40 -0.03 2.17 2.07 -1.26 -1.66 121.20 120.24 1udm s ILE 12 Ca 0.36 -0.22 -0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1udm s ILE 12 Cb 0.07 -0.34 -0.16 0.00 0.13 0.00 0.00 42.46 42.15 1udm s ILE 12 CO 0.19 0.11 3.07 0.47 -1.91 0.00 0.00 174.94 176.87 1udm n ASP 13 N 2.97 5.36 -0.09 4.50 9.92 -0.08 -4.71 116.55 134.42 1udm n ASP 13 Ca -0.13 -2.51 0.04 0.00 -0.53 0.00 0.00 54.79 51.66 1udm n ASP 13 Cb 0.58 -1.32 0.08 0.00 -0.64 0.00 0.00 41.12 39.82 1udm n ASP 13 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1udm n LYS 14 N 2.07 -0.02 0.07 -1.24 5.02 -1.26 0.26 118.16 123.07 1udm n LYS 14 Ca 0.30 0.40 -0.12 0.00 -2.02 0.00 0.00 58.31 56.87 1udm n LYS 14 Cb 0.77 -0.64 -0.05 0.00 -0.02 0.00 0.00 35.03 35.09 1udm n LYS 14 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1udm h GLU 15 N 0.00 -0.47 -0.05 1.97 4.11 -1.98 0.26 114.58 118.42 1udm h GLU 15 Ca 0.16 0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.46 1udm h GLU 15 Cb 0.33 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1udm h GLU 15 CO -0.25 -0.32 -0.71 0.00 0.07 0.00 0.00 179.01 177.80 1udm h ALA 16 N 0.21 0.71 0.94 1.06 0.00 0.32 -3.21 119.26 119.30 1udm h ALA 16 Ca 0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1udm h ALA 16 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1udm h ALA 16 CO -0.25 0.80 -0.45 0.00 0.00 0.00 0.00 179.25 179.35 1udm h ARG 18 N -1.33 0.38 -0.14 0.00 1.12 -0.60 0.11 114.38 113.91 1udm h ARG 18 Ca -0.13 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.74 1udm h ARG 18 Cb 0.97 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.83 1udm h ARG 18 CO 0.21 0.25 0.02 0.00 -3.11 0.00 0.00 179.97 177.35 1udm h ALA 19 N 1.66 0.14 -0.29 2.80 0.00 -1.49 -0.25 119.26 121.83 1udm h ALA 19 Ca 0.64 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.52 1udm h ALA 19 Cb 1.58 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1udm h ALA 19 CO -0.37 -0.42 -0.04 0.00 0.00 0.00 0.00 179.25 178.42 1udm h ALA 20 N 1.11 0.39 0.00 0.00 0.00 -0.60 -1.01 119.26 119.14 1udm h ALA 20 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1udm h ALA 20 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1udm h ALA 20 CO -0.09 0.18 0.00 -0.92 0.00 0.00 0.00 179.25 178.42 1udm h TYR 21 N 0.30 0.00 0.11 0.00 3.20 -0.95 -2.40 116.97 117.23 1udm h TYR 21 Ca 0.08 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.58 1udm h TYR 21 Cb 0.50 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1udm h TYR 21 CO 0.04 0.00 -2.03 0.09 -1.64 0.00 0.00 178.16 174.62 1udm n ASN 22 N -2.77 2.08 0.32 -2.11 3.02 -0.12 -2.62 115.26 113.07 1udm n ASN 22 Ca -0.01 0.19 0.18 0.00 -0.03 0.00 0.00 54.58 54.90 1udm n ASN 22 Cb 0.12 -0.81 0.94 0.00 -0.61 0.00 0.00 39.78 39.43 1udm n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1udm h LEU 23 N 0.07 0.00 0.00 3.41 -0.00 -0.67 0.48 115.31 118.60 1udm h LEU 23 Ca -0.43 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.13 1udm h LEU 23 Cb 2.03 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.63 1udm h LEU 23 CO 0.08 0.00 -2.22 0.52 -0.00 0.00 0.00 178.44 176.82 1udm n VAL 24 N -2.90 1.23 0.16 1.22 0.31 -1.18 -4.05 118.33 113.12 1udm n VAL 24 Ca -0.02 -0.48 0.01 0.00 -0.01 0.00 0.00 64.34 63.83 1udm n VAL 24 Cb 0.25 -1.22 0.27 0.00 -0.91 0.00 0.00 33.84 32.23 1udm n VAL 24 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1udm h ARG 25 N 0.00 0.00 -7.13 5.55 2.43 -1.11 -3.45 114.38 110.67 1udm h ARG 25 Ca -0.48 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.17 1udm h ARG 25 Cb 1.76 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 31.42 1udm h ARG 25 CO -0.07 0.49 0.43 0.34 -1.51 0.00 0.00 179.97 179.65 1udm s ASP 26 N -6.86 5.18 -0.16 -3.80 2.15 0.16 -4.93 116.67 108.40 1udm s ASP 26 Ca -0.02 2.24 0.11 0.00 0.43 0.00 0.00 52.55 55.32 1udm s ASP 26 Cb 0.13 -2.58 0.62 0.00 -0.30 0.00 0.00 42.92 40.79 1udm s ASP 26 CO 0.74 -1.59 1.45 -0.67 -0.17 0.00 0.00 175.17 174.93 1udm n ASP 27 N -1.84 4.46 0.00 -0.34 -0.08 -1.26 -3.94 116.55 113.54 1udm n ASP 27 Ca 0.12 -2.63 0.00 0.00 -1.51 0.00 0.00 54.79 50.77 1udm n ASP 27 Cb 0.51 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1udm n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1udm n GLY 28 N 0.58 0.91 3.34 0.27 0.00 -1.26 -4.97 105.19 104.05 1udm n GLY 28 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1udm n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udm s SER 29 N -1.02 5.30 0.60 1.61 0.01 -1.25 -4.95 113.70 114.00 1udm s SER 29 Ca 0.00 -0.84 0.18 0.00 1.31 0.00 0.00 55.95 56.60 1udm s SER 29 Cb 0.00 -1.91 1.00 0.00 0.21 0.00 0.00 66.02 65.33 1udm s SER 29 CO 0.00 -0.25 1.54 0.00 0.41 0.00 0.00 173.24 174.94 1udm h ALA 30 N 8.27 1.50 -2.10 1.44 0.00 -1.91 -3.42 119.26 123.03 1udm h ALA 30 Ca -0.29 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.01 1udm h ALA 30 Cb 1.11 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.97 1udm h ALA 30 CO 0.61 -0.50 0.63 0.28 0.00 0.00 0.00 179.25 180.28 1udm n VAL 31 N -2.62 0.29 0.00 0.00 0.31 -1.26 -4.27 118.33 110.78 1udm n VAL 31 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1udm n VAL 31 Cb 0.55 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1udm n VAL 31 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1udm n ILE 32 N 2.70 0.00 -4.04 2.52 -5.35 -1.06 -4.22 119.36 109.91 1udm n ILE 32 Ca 0.16 -0.11 -0.13 0.00 -0.27 0.00 0.00 62.75 62.40 1udm n ILE 32 Cb 0.27 0.60 -0.12 0.00 -1.74 0.00 0.00 39.64 38.65 1udm n ILE 32 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1udm s TRP 33 N -1.71 0.46 -0.14 4.28 1.48 -1.03 -0.16 118.94 122.11 1udm s TRP 33 Ca 0.00 -0.36 -0.05 0.00 -1.06 0.00 0.00 56.10 54.63 1udm s TRP 33 Cb 0.00 -0.29 0.07 0.00 -1.16 0.00 0.00 33.47 32.09 1udm s TRP 33 CO 0.00 -0.08 0.26 0.14 -4.06 0.00 0.00 176.95 173.20 1udm s VAL 34 N -0.98 -0.40 0.26 -0.66 -7.23 -0.30 -3.01 120.40 108.08 1udm s VAL 34 Ca -0.08 0.23 -0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1udm s VAL 34 Cb -0.07 -0.48 -0.06 0.00 0.56 0.00 0.00 36.38 36.33 1udm s VAL 34 CO -0.00 0.07 0.56 0.42 -0.31 0.00 0.00 175.10 175.84 1udm s THR 35 N 2.41 4.97 -0.34 5.32 -4.23 -1.13 -0.27 115.64 122.37 1udm s THR 35 Ca 0.02 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1udm s THR 35 Cb -0.13 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.15 1udm s THR 35 CO -0.09 -0.20 0.12 -0.36 -0.54 0.00 0.00 174.62 173.55 1udm s PHE 36 N -1.96 1.95 0.51 3.99 0.08 0.74 0.24 117.98 123.54 1udm s PHE 36 Ca 0.46 -2.01 0.06 0.00 0.12 0.00 0.00 56.93 55.56 1udm s PHE 36 Cb -0.11 -1.86 0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1udm s PHE 36 CO 0.26 -0.86 0.71 -0.98 -0.10 0.00 0.00 175.22 174.24 1udm s ARG 37 N 1.27 2.53 0.14 0.44 1.70 -0.29 -2.50 118.95 122.24 1udm s ARG 37 Ca 0.12 -1.23 -0.10 0.00 -0.47 0.00 0.00 55.73 54.05 1udm s ARG 37 Cb -0.19 -2.63 -0.06 0.00 -0.57 0.00 0.00 34.95 31.49 1udm s ARG 37 CO -0.18 -0.62 0.46 0.71 -1.08 0.00 0.00 175.30 174.59 1udm s TYR 38 N -2.59 3.54 -0.10 5.89 2.02 -1.26 -0.13 117.35 124.72 1udm s TYR 38 Ca 0.58 0.83 0.08 0.00 -0.37 0.00 0.00 57.07 58.19 1udm s TYR 38 Cb -0.09 -2.20 0.14 0.00 -0.40 0.00 0.00 41.96 39.41 1udm s TYR 38 CO 0.37 0.43 1.08 -3.47 -1.57 0.00 0.00 175.55 172.39 1udm n ASP 39 N 0.53 2.23 0.00 2.29 2.03 -0.58 -4.90 116.55 118.16 1udm n ASP 39 Ca -0.05 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1udm n ASP 39 Cb 0.52 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1udm n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1udm n GLY 40 N -0.82 0.64 2.25 0.27 0.00 -1.26 -4.84 105.19 101.43 1udm n GLY 40 Ca 0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1udm n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 41 N 0.00 -0.25 -3.64 4.61 0.00 -1.26 -4.81 120.51 115.16 1udm n ALA 41 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1udm n ALA 41 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1udm n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1udm s THR 42 N -2.48 -0.37 0.13 0.00 2.01 -1.26 -3.47 115.64 110.19 1udm s THR 42 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1udm s THR 42 Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1udm s THR 42 CO 0.00 0.00 1.19 -0.63 -0.69 0.00 0.00 174.62 174.49 1udm s ILE 43 N 2.11 3.80 -0.06 1.82 1.01 -0.66 -1.52 121.20 127.70 1udm s ILE 43 Ca -0.08 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 61.86 1udm s ILE 43 Cb -0.08 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.52 1udm s ILE 43 CO -0.19 0.17 0.26 0.68 0.00 0.00 0.00 174.94 175.86 1udm s VAL 44 N 0.47 0.03 -0.11 2.92 -7.23 0.82 -0.91 120.40 116.40 1udm s VAL 44 Ca 0.56 -0.26 -0.36 0.00 -1.81 0.00 0.00 61.98 60.10 1udm s VAL 44 Cb -0.31 -0.47 -0.14 0.00 0.56 0.00 0.00 36.38 36.03 1udm s VAL 44 CO 0.33 -0.14 1.75 -2.65 -0.31 0.00 0.00 175.10 174.07 1udm n PRO 45 N 2.18 1.73 0.00 4.82 -0.02 -1.26 -1.13 135.00 141.31 1udm n PRO 45 Ca -0.17 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1udm n PRO 45 Cb 0.57 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1udm n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1udm n GLY 46 N 4.05 0.91 3.93 -1.23 0.00 0.14 -4.76 105.19 108.22 1udm n GLY 46 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1udm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1udm s ASP 47 N -1.00 4.21 -0.28 1.61 1.11 -1.25 -4.92 116.67 116.15 1udm s ASP 47 Ca 0.00 0.35 -0.22 0.00 0.18 0.00 0.00 52.55 52.86 1udm s ASP 47 Cb 0.00 -0.76 0.12 0.00 1.07 0.00 0.00 42.92 43.35 1udm s ASP 47 CO 0.00 -2.01 0.97 -1.58 1.18 0.00 0.00 175.17 173.73 1udm s GLN 48 N -5.48 0.52 0.00 8.23 0.74 -1.26 -2.82 119.66 119.60 1udm s GLN 48 Ca 0.65 0.69 0.00 0.00 0.05 0.00 0.00 55.36 56.75 1udm s GLN 48 Cb -0.08 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1udm s GLN 48 CO 0.48 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 1udm n GLY 49 N 2.72 0.78 0.05 2.59 0.00 -1.16 -5.01 105.19 105.17 1udm n GLY 49 Ca -0.14 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.11 1udm n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm n ALA 50 N -0.26 3.03 -2.64 4.61 0.00 -1.26 -2.47 120.51 121.52 1udm n ALA 50 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1udm n ALA 50 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1udm n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udm s ASP 51 N -4.44 6.36 0.55 0.00 2.15 -1.26 -4.55 116.67 115.48 1udm s ASP 51 Ca 0.01 -0.29 0.27 0.00 0.43 0.00 0.00 52.55 52.97 1udm s ASP 51 Cb 0.13 -2.45 1.46 0.00 -0.30 0.00 0.00 42.92 41.76 1udm s ASP 51 CO 0.81 -1.26 1.99 0.22 -0.17 0.00 0.00 175.17 176.76 1udm h TYR 52 N 9.34 0.00 0.00 -5.34 5.03 -1.99 0.39 116.97 124.40 1udm h TYR 52 Ca -0.26 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.05 1udm h TYR 52 Cb 1.07 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 1udm h TYR 52 CO 0.93 0.00 -0.02 1.96 -1.32 0.00 0.00 178.16 179.71 1udm h GLN 53 N 0.00 0.00 0.00 1.82 1.08 -1.99 -2.02 115.11 113.99 1udm h GLN 53 Ca 0.23 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.28 1udm h GLN 53 Cb 0.99 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1udm h GLN 53 CO -0.00 0.02 -0.82 0.45 -0.95 0.00 0.00 178.83 177.52 1udm h HIS 54 N 0.00 0.00 0.15 2.96 3.86 -0.62 -3.16 115.15 118.33 1udm h HIS 54 Ca -0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 1udm h HIS 54 Cb 0.35 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.85 1udm h HIS 54 CO 0.00 0.66 -1.13 0.35 0.86 0.00 0.00 177.93 178.67 1udm h PHE 55 N 0.00 0.85 0.00 2.45 3.57 -1.37 -3.23 116.94 119.21 1udm h PHE 55 Ca -0.04 -0.57 0.00 0.00 3.53 0.00 0.00 57.97 60.89 1udm h PHE 55 Cb 1.54 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1udm h PHE 55 CO 0.00 1.43 0.00 0.82 -2.23 0.00 0.00 178.31 178.33 1udm h ILE 56 N 0.03 0.00 -0.06 1.41 2.04 -1.57 -1.87 117.51 117.51 1udm h ILE 56 Ca -0.18 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1udm h ILE 56 Cb 1.85 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1udm h ILE 56 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1udm n GLN 57 N -2.61 1.37 -0.04 2.37 1.13 -1.19 -3.55 117.38 114.85 1udm n GLN 57 Ca 0.01 -0.54 -0.02 0.00 -1.94 0.00 0.00 57.00 54.51 1udm n GLN 57 Cb 0.23 -1.40 -0.08 0.00 0.11 0.00 0.00 30.24 29.10 1udm n GLN 57 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1udm n GLN 58 N -0.28 1.76 -2.69 -1.09 1.13 -0.71 -4.94 117.38 110.56 1udm n GLN 58 Ca 0.18 -0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.77 1udm n GLN 58 Cb 0.22 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 1udm n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1udm s THR 60 N 3.87 0.63 -2.08 0.00 -4.23 -1.26 -4.92 115.64 107.65 1udm s THR 60 Ca 0.43 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.20 1udm s THR 60 Cb -0.10 -2.24 0.68 0.00 1.34 0.00 0.00 72.50 72.18 1udm s THR 60 CO 0.23 0.00 1.92 0.47 -0.54 0.00 0.00 174.62 176.69 1udm n ASP 61 N -1.41 0.32 -0.11 3.99 8.00 -1.26 -3.11 116.55 122.96 1udm n ASP 61 Ca -0.09 -1.28 0.09 0.00 0.71 0.00 0.00 54.79 54.22 1udm n ASP 61 Cb 0.65 -0.01 0.14 0.00 -0.02 0.00 0.00 41.12 41.88 1udm n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1udm n ASP 62 N -0.67 2.41 -3.61 -2.24 -0.08 -1.26 -3.26 116.55 107.84 1udm n ASP 62 Ca 0.19 -3.01 -0.11 0.00 -1.51 0.00 0.00 54.79 50.35 1udm n ASP 62 Cb 0.14 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.15 1udm n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1udm s VAL 63 N -2.74 0.05 -0.18 5.18 0.11 -1.18 -5.03 120.40 116.62 1udm s VAL 63 Ca 0.30 -0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 58.82 1udm s VAL 63 Cb 0.26 -1.09 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1udm s VAL 63 CO 0.03 -0.25 0.42 0.00 -3.33 0.00 0.00 175.10 171.97 1udm s ARG 64 N -3.39 0.38 0.10 1.54 3.03 -1.26 -1.13 118.95 118.23 1udm s ARG 64 Ca 0.00 0.84 -0.26 0.00 2.03 0.00 0.00 55.73 58.35 1udm s ARG 64 Cb 0.01 0.04 0.08 0.00 -1.03 0.00 0.00 34.95 34.04 1udm s ARG 64 CO -0.09 -0.18 0.80 -0.48 -1.13 0.00 0.00 175.30 174.22 1udm s LEU 65 N 1.62 -0.38 0.64 -1.89 -0.00 -0.75 -4.72 118.68 113.21 1udm s LEU 65 Ca -0.08 -0.14 -0.11 0.00 -0.00 0.00 0.00 54.13 53.80 1udm s LEU 65 Cb -0.09 2.29 -0.03 0.00 -0.00 0.00 0.00 46.19 48.37 1udm s LEU 65 CO -0.13 -0.85 1.04 -0.36 -0.00 0.00 0.00 176.35 176.05 1udm s PHE 66 N -3.42 3.53 -0.27 3.48 0.40 -1.04 -0.63 117.98 120.04 1udm s PHE 66 Ca 0.06 1.27 -0.02 0.00 -0.60 0.00 0.00 56.93 57.65 1udm s PHE 66 Cb -0.02 -2.78 0.12 0.00 0.51 0.00 0.00 43.02 40.86 1udm s PHE 66 CO -0.06 -0.81 0.28 0.00 0.70 0.00 0.00 175.22 175.32 1udm s ALA 67 N -3.19 -0.44 -0.50 5.36 0.00 0.22 -0.19 121.76 123.03 1udm s ALA 67 Ca 0.56 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 1udm s ALA 67 Cb -0.11 -1.66 0.04 0.00 0.00 0.00 0.00 23.12 21.39 1udm s ALA 67 CO 0.54 -1.55 0.75 0.12 0.00 0.00 0.00 175.76 175.62 1udm s PHE 68 N 2.36 2.96 0.00 0.00 5.36 0.63 0.78 117.98 130.07 1udm s PHE 68 Ca 0.09 -0.17 0.05 0.00 -0.96 0.00 0.00 56.93 55.94 1udm s PHE 68 Cb -0.15 -3.69 -0.03 0.00 -0.34 0.00 0.00 43.02 38.81 1udm s PHE 68 CO -0.27 -1.10 -0.14 0.08 -1.46 0.00 0.00 175.22 172.33 1udm s VAL 69 N 3.19 3.08 -0.15 3.12 1.01 -0.94 -1.15 120.40 128.57 1udm s VAL 69 Ca 0.24 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1udm s VAL 69 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1udm s VAL 69 CO 0.17 0.43 0.38 -0.60 0.00 0.00 0.00 175.10 175.48 1udm s ARG 70 N -1.22 4.27 -0.29 2.72 3.52 0.78 -1.46 118.95 127.26 1udm s ARG 70 Ca 0.14 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.00 1udm s ARG 70 Cb -0.11 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.92 1udm s ARG 70 CO 0.04 0.15 0.03 -0.06 -0.81 0.00 0.00 175.30 174.66 1udm s PHE 71 N 0.69 2.66 -0.41 5.12 0.08 -1.26 -4.89 117.98 119.97 1udm s PHE 71 Ca 0.20 -2.18 -0.29 0.00 0.12 0.00 0.00 56.93 54.78 1udm s PHE 71 Cb -0.14 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.13 1udm s PHE 71 CO 0.07 -0.87 2.33 0.25 -0.10 0.00 0.00 175.22 176.90 1udm n THR 72 N 4.58 0.13 -3.15 0.64 -2.24 -1.26 -3.30 114.28 109.68 1udm n THR 72 Ca -0.03 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.29 1udm n THR 72 Cb 0.43 -2.28 -0.00 0.00 -2.10 0.00 0.00 70.33 66.38 1udm n THR 72 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1udm s THR 73 N 9.56 -0.99 -0.01 4.28 -1.32 0.22 -4.98 115.64 122.39 1udm s THR 73 Ca 1.05 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.54 1udm s THR 73 Cb -0.47 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.53 1udm s THR 73 CO 0.36 0.00 -0.02 -0.83 -2.21 0.00 0.00 174.62 171.92 1udm s GLY 74 N 2.83 0.17 0.25 6.08 0.00 -0.96 -3.90 107.32 111.79 1udm s GLY 74 Ca 0.10 -0.04 -0.20 0.00 0.00 0.00 0.00 44.72 44.58 1udm s GLY 74 CO -0.26 0.09 0.97 -0.35 0.00 0.00 0.00 173.10 173.55 1udm s ASP 75 N 0.23 0.03 0.00 1.64 2.15 -0.49 -4.79 116.67 115.43 1udm s ASP 75 Ca -0.02 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1udm s ASP 75 Cb -0.05 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1udm s ASP 75 CO -0.01 -1.22 0.00 0.00 -0.17 0.00 0.00 175.17 173.77 1udm n ALA 76 N -0.68 0.00 -0.10 3.66 0.00 -1.26 0.25 120.51 122.38 1udm n ALA 76 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1udm n ALA 76 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 1udm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udm n MET 77 N 0.00 0.68 -1.28 0.00 0.00 -1.26 -4.98 117.12 110.27 1udm n MET 77 Ca 0.00 0.04 -0.35 0.00 0.00 0.00 0.00 57.70 57.40 1udm n MET 77 Cb 0.00 -1.53 0.11 0.00 0.00 0.00 0.00 33.22 31.80 1udm n MET 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1udm n SER 78 N -2.90 1.10 -4.80 3.17 7.64 0.68 -5.02 113.62 113.49 1udm n SER 78 Ca -0.36 0.65 -0.23 0.00 1.01 0.00 0.00 58.87 59.95 1udm n SER 78 Cb 1.11 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 1udm n SER 78 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1udm s LYS 79 N -3.79 2.85 0.14 1.43 1.02 -1.25 -1.40 119.74 118.74 1udm s LYS 79 Ca 0.75 -1.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 1udm s LYS 79 Cb -0.32 -2.54 0.11 0.00 -0.52 0.00 0.00 37.83 34.56 1udm s LYS 79 CO 0.49 0.41 1.05 -2.13 -0.92 0.00 0.00 175.35 174.25 1udm n ARG 80 N -0.98 -0.19 -4.92 1.68 0.00 -1.26 -2.25 116.66 108.73 1udm n ARG 80 Ca -0.08 1.04 -0.27 0.00 -0.00 0.00 0.00 57.85 58.54 1udm n ARG 80 Cb 0.57 -1.53 -0.16 0.00 0.00 0.00 0.00 32.46 31.34 1udm n ARG 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1udm s SER 81 N -5.27 2.35 -0.08 6.15 0.01 -1.26 0.68 113.70 116.29 1udm s SER 81 Ca -0.09 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 56.86 1udm s SER 81 Cb 0.12 -0.66 -0.11 0.00 0.21 0.00 0.00 66.02 65.58 1udm s SER 81 CO 0.47 0.17 0.05 0.29 0.41 0.00 0.00 173.24 174.63 1udm n LYS 82 N 3.12 2.35 -0.10 12.44 4.76 -1.21 -4.92 118.16 134.61 1udm n LYS 82 Ca -0.18 -0.01 0.01 0.00 -2.87 0.00 0.00 58.31 55.26 1udm n LYS 82 Cb 0.53 -1.22 -0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1udm n LYS 82 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1udm n PHE 83 N -2.26 -2.02 -3.51 2.13 3.01 -1.26 0.24 117.46 113.80 1udm n PHE 83 Ca -0.12 0.12 0.03 0.00 1.01 0.00 0.00 57.45 58.49 1udm n PHE 83 Cb 0.71 0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 40.15 1udm n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1udm s ALA 84 N -1.91 -2.87 -1.04 4.37 0.00 -0.54 -3.42 121.76 116.35 1udm s ALA 84 Ca 0.00 1.92 -0.19 0.00 0.00 0.00 0.00 51.96 53.69 1udm s ALA 84 Cb 0.00 -2.09 0.11 0.00 0.00 0.00 0.00 23.12 21.14 1udm s ALA 84 CO 0.00 -0.51 1.34 -1.17 0.00 0.00 0.00 175.76 175.42 1udm s LEU 85 N 1.33 4.48 -0.52 0.00 2.96 -0.58 -2.21 118.68 124.13 1udm s LEU 85 Ca -0.06 -2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 51.51 1udm s LEU 85 Cb -0.02 -2.47 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 1udm s LEU 85 CO -0.11 -1.15 1.65 -0.63 -1.32 0.00 0.00 176.35 174.78 1udm s ILE 86 N 3.33 3.58 -0.66 6.68 1.01 0.23 0.79 121.20 136.16 1udm s ILE 86 Ca 0.40 0.48 -0.23 0.00 0.00 0.00 0.00 60.65 61.31 1udm s ILE 86 Cb -0.02 -4.10 0.07 0.00 0.01 0.00 0.00 42.46 38.42 1udm s ILE 86 CO -0.06 -0.91 0.97 -0.89 0.00 0.00 0.00 174.94 174.05 1udm s THR 87 N 7.22 4.32 0.32 2.92 2.01 0.42 0.69 115.64 133.54 1udm s THR 87 Ca 0.63 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 1udm s THR 87 Cb -0.14 -4.69 -0.10 0.00 0.01 0.00 0.00 72.50 67.58 1udm s THR 87 CO 0.26 -1.46 0.95 0.86 -0.69 0.00 0.00 174.62 174.53 1udm s TRP 88 N 4.08 3.68 -0.29 4.92 -0.11 0.20 -0.75 118.94 130.68 1udm s TRP 88 Ca 0.22 1.78 0.01 0.00 1.22 0.00 0.00 56.10 59.34 1udm s TRP 88 Cb -0.17 -2.93 0.16 0.00 -1.50 0.00 0.00 33.47 29.03 1udm s TRP 88 CO 0.10 0.18 0.39 0.42 -4.62 0.00 0.00 176.95 173.43 1udm s ILE 89 N -1.61 -0.60 0.06 5.86 1.01 -0.08 -1.81 121.20 124.03 1udm s ILE 89 Ca 0.50 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1udm s ILE 89 Cb -0.19 -0.98 -0.12 0.00 0.01 0.00 0.00 42.46 41.18 1udm s ILE 89 CO 0.24 -0.30 0.51 0.61 0.00 0.00 0.00 174.94 175.99 1udm n GLY 90 N 5.35 -0.62 0.00 6.18 0.00 -0.28 -4.28 105.19 111.54 1udm n GLY 90 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 46.02 46.48 1udm n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1udm n GLU 91 N 0.79 0.04 -0.02 1.61 2.13 -1.20 -2.79 120.64 121.20 1udm n GLU 91 Ca 0.12 0.11 0.07 0.00 0.66 0.00 0.00 57.16 58.12 1udm n GLU 91 Cb 0.10 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.16 1udm n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1udm n ASP 92 N -1.48 0.37 -4.52 4.31 2.03 -1.21 -5.00 116.55 111.06 1udm n ASP 92 Ca 0.06 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.98 1udm n ASP 92 Cb 0.26 1.78 0.03 0.00 -0.72 0.00 0.00 41.12 42.47 1udm n ASP 92 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1udm n VAL 93 N -2.28 2.53 -2.23 5.18 0.31 -1.12 -4.88 118.33 115.84 1udm n VAL 93 Ca -0.08 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.34 1udm n VAL 93 Cb 0.61 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 1udm n VAL 93 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1udm s SER 94 N -1.09 6.89 0.23 4.52 0.15 -1.26 -4.79 113.70 118.36 1udm s SER 94 Ca 0.69 2.31 0.14 0.00 0.70 0.00 0.00 55.95 59.78 1udm s SER 94 Cb -0.48 -2.59 0.84 0.00 -1.71 0.00 0.00 66.02 62.08 1udm s SER 94 CO 0.54 -0.57 0.98 0.61 1.20 0.00 0.00 173.24 175.99 1udm n GLY 95 N 3.01 -0.47 0.37 9.45 0.00 -1.26 0.24 105.19 116.53 1udm n GLY 95 Ca 0.09 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 1udm n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1udm h LEU 96 N 0.00 -1.14 -1.47 0.99 7.12 -1.97 1.27 115.31 120.11 1udm h LEU 96 Ca 0.53 0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.68 1udm h LEU 96 Cb 1.42 0.41 -0.03 0.00 -0.53 0.00 0.00 40.66 41.93 1udm h LEU 96 CO -0.46 -0.45 0.39 1.56 -0.13 0.00 0.00 178.44 179.35 1udm h GLN 97 N -0.64 0.68 0.00 1.25 1.08 -0.58 0.15 115.11 117.05 1udm h GLN 97 Ca -0.02 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1udm h GLN 97 Cb 0.61 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1udm h GLN 97 CO -0.15 0.45 -0.44 -0.09 -0.95 0.00 0.00 178.83 177.65 1udm h ARG 98 N 0.70 0.00 -0.00 1.46 2.43 -0.68 -1.84 114.38 116.45 1udm h ARG 98 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1udm h ARG 98 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1udm h ARG 98 CO -0.06 0.44 -0.41 0.00 -1.51 0.00 0.00 179.97 178.42 1udm n ALA 99 N -2.30 3.38 -0.10 2.80 0.00 0.43 -4.13 120.51 120.59 1udm n ALA 99 Ca -0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1udm n ALA 99 Cb 0.56 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 1udm n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1udm n LYS 100 N -1.25 0.65 -0.30 0.00 4.76 -0.11 -4.20 118.16 117.70 1udm n LYS 100 Ca 0.08 0.25 0.20 0.00 -2.87 0.00 0.00 58.31 55.97 1udm n LYS 100 Cb 0.34 -1.58 0.48 0.00 -1.84 0.00 0.00 35.03 32.43 1udm n LYS 100 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1udm h THR 101 N -0.34 0.61 -0.16 -0.18 2.02 -1.49 0.24 112.91 113.60 1udm h THR 101 Ca -0.55 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 1udm h THR 101 Cb 1.79 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1udm h THR 101 CO -0.15 0.08 -0.38 1.23 0.37 0.00 0.00 175.52 176.68 1udm h GLY 102 N 0.45 0.38 1.17 2.16 0.00 -1.76 -3.09 103.07 102.39 1udm h GLY 102 Ca 0.55 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 47.29 1udm h GLY 102 CO -0.26 0.32 -0.81 -0.84 0.00 0.00 0.00 176.54 174.96 1udm h THR 103 N 0.30 1.28 0.00 4.70 2.02 -0.74 -2.94 112.91 117.53 1udm h THR 103 Ca 0.03 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1udm h THR 103 Cb 0.81 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1udm h THR 103 CO 0.06 0.63 0.00 0.47 0.37 0.00 0.00 175.52 177.06 1udm n ASP 104 N -3.94 0.00 0.10 4.18 8.00 -0.52 -2.58 116.55 121.79 1udm n ASP 104 Ca -0.08 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1udm n ASP 104 Cb 0.76 -0.17 0.31 0.00 -0.02 0.00 0.00 41.12 42.01 1udm n ASP 104 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1udm h LYS 105 N 0.00 0.26 -0.22 -1.24 3.64 -1.44 -2.50 116.57 115.08 1udm h LYS 105 Ca 0.00 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1udm h LYS 105 Cb 0.07 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1udm h LYS 105 CO 0.00 0.49 0.33 1.15 -2.27 0.00 0.00 179.45 179.16 1udm h THR 106 N 0.24 0.27 0.00 1.00 2.02 -1.71 0.50 112.91 115.23 1udm h THR 106 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 1udm h THR 106 Cb 0.56 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1udm h THR 106 CO 0.04 0.00 -0.49 -0.07 0.37 0.00 0.00 175.52 175.37 1udm h LEU 107 N 0.00 0.00 -1.59 2.58 3.38 -1.70 -3.28 115.31 114.71 1udm h LEU 107 Ca 0.10 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1udm h LEU 107 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1udm h LEU 107 CO -0.00 1.01 0.40 0.58 0.09 0.00 0.00 178.44 180.51 1udm h VAL 108 N -1.00 0.94 -0.17 1.22 2.07 -1.41 -0.28 116.25 117.62 1udm h VAL 108 Ca -0.11 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1udm h VAL 108 Cb 0.80 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1udm h VAL 108 CO -0.07 0.09 -0.17 0.50 0.02 0.00 0.00 177.57 177.95 1udm h LYS 109 N 0.48 0.29 -0.96 1.57 3.64 -1.07 -2.55 116.57 117.97 1udm h LYS 109 Ca 0.27 -0.08 0.24 0.00 -1.27 0.00 0.00 60.65 59.81 1udm h LYS 109 Cb 0.43 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.09 1udm h LYS 109 CO -0.08 0.46 0.51 0.93 -2.27 0.00 0.00 179.45 179.00 1udm h GLU 110 N 0.27 0.48 0.14 1.90 4.39 -1.09 -1.65 114.58 119.01 1udm h GLU 110 Ca 0.05 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 1udm h GLU 110 Cb 0.46 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1udm h GLU 110 CO 0.03 0.31 -1.42 0.28 -1.16 0.00 0.00 179.01 177.05 1udm h VAL 111 N 0.49 1.08 -2.86 3.13 2.07 -1.61 -3.42 116.25 115.13 1udm h VAL 111 Ca 0.62 -2.46 -0.69 0.00 0.82 0.00 0.00 66.70 64.99 1udm h VAL 111 Cb 1.19 2.80 -0.19 0.00 -1.52 0.00 0.00 31.29 33.57 1udm h VAL 111 CO -0.51 0.75 0.26 -0.69 0.02 0.00 0.00 177.57 177.40 1udm s VAL 112 N -2.50 4.77 0.00 2.57 1.01 -0.62 -4.72 120.40 120.91 1udm s VAL 112 Ca -0.18 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1udm s VAL 112 Cb 0.04 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1udm s VAL 112 CO 0.80 -1.22 0.00 0.00 0.00 0.00 0.00 175.10 174.68 1udm n GLN 113 N 6.46 2.71 0.21 2.72 6.02 -1.24 -4.57 117.38 129.70 1udm n GLN 113 Ca -0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.03 1udm n GLN 113 Cb 0.44 -0.88 0.45 0.00 1.02 0.00 0.00 30.24 31.27 1udm n GLN 113 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1udm h ASN 114 N 0.00 0.00 -0.79 1.08 -1.24 -1.93 -3.45 115.58 109.26 1udm h ASN 114 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1udm h ASN 114 Cb 0.76 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.83 1udm h ASN 114 CO 0.00 0.28 -0.01 2.22 -1.29 0.00 0.00 177.43 178.63 1udm n PHE 115 N -3.59 -1.43 -0.02 0.67 -1.74 -1.26 -4.89 117.46 105.21 1udm n PHE 115 Ca -0.01 -0.03 -0.02 0.00 -0.56 0.00 0.00 57.45 56.84 1udm n PHE 115 Cb 0.42 -0.12 -0.01 0.00 1.52 0.00 0.00 39.48 41.29 1udm n PHE 115 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1udm n ALA 116 N -2.19 0.16 -3.48 1.98 0.00 0.67 -4.89 120.51 112.76 1udm n ALA 116 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1udm n ALA 116 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1udm n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1udm s LYS 117 N -1.37 1.24 0.02 0.00 2.20 -1.26 -5.04 119.74 115.53 1udm s LYS 117 Ca -0.05 -0.49 -0.25 0.00 -0.36 0.00 0.00 55.97 54.82 1udm s LYS 117 Cb 0.01 0.55 -0.05 0.00 -1.51 0.00 0.00 37.83 36.83 1udm s LYS 117 CO 0.08 -0.55 0.77 -1.83 -0.36 0.00 0.00 175.35 173.46 1udm s GLU 118 N -3.64 4.49 -0.46 4.03 -1.05 -1.26 -1.53 118.70 119.28 1udm s GLU 118 Ca 0.03 1.06 -0.08 0.00 -0.15 0.00 0.00 54.97 55.83 1udm s GLU 118 Cb -0.01 -3.39 0.12 0.00 -0.44 0.00 0.00 34.13 30.41 1udm s GLU 118 CO -0.10 0.22 0.33 -0.06 0.95 0.00 0.00 175.26 176.59 1udm s PHE 119 N 0.19 3.45 -0.74 4.83 0.40 0.24 -4.88 117.98 121.47 1udm s PHE 119 Ca 0.39 -1.95 -0.27 0.00 -0.60 0.00 0.00 56.93 54.51 1udm s PHE 119 Cb -0.20 -3.46 0.03 0.00 0.51 0.00 0.00 43.02 39.90 1udm s PHE 119 CO 0.22 -0.99 1.27 0.08 0.70 0.00 0.00 175.22 176.51 1udm s VAL 120 N 1.33 3.73 -0.01 -0.44 1.01 -1.26 0.16 120.40 124.92 1udm s VAL 120 Ca 0.06 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1udm s VAL 120 Cb -0.26 -4.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.18 1udm s VAL 120 CO -0.01 -1.85 -0.14 -0.63 0.00 0.00 0.00 175.10 172.46 1udm s ILE 121 N 5.71 3.06 -0.01 2.22 1.01 0.07 -4.94 121.20 128.33 1udm s ILE 121 Ca 0.35 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1udm s ILE 121 Cb -0.08 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1udm s ILE 121 CO 0.15 0.47 0.01 -1.20 0.00 0.00 0.00 174.94 174.37 1udm n SER 122 N 1.90 3.33 -4.25 3.58 7.64 -1.26 -0.91 113.62 123.66 1udm n SER 122 Ca -0.16 -0.16 -0.33 0.00 1.01 0.00 0.00 58.87 59.22 1udm n SER 122 Cb 0.52 1.01 -0.16 0.00 -1.01 0.00 0.00 64.21 64.58 1udm n SER 122 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1udm s ASP 123 N -1.72 3.52 0.37 6.43 -1.08 -1.26 -3.24 116.67 119.69 1udm s ASP 123 Ca -0.00 -0.49 0.13 0.00 -0.52 0.00 0.00 52.55 51.67 1udm s ASP 123 Cb 0.00 -1.53 0.96 0.00 -1.46 0.00 0.00 42.92 40.89 1udm s ASP 123 CO 0.02 0.10 1.82 0.03 0.52 0.00 0.00 175.17 177.66 1udm h ARG 124 N 7.16 0.53 0.00 4.34 3.08 -1.94 0.30 114.38 127.85 1udm h ARG 124 Ca -0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1udm h ARG 124 Cb 1.20 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1udm h ARG 124 CO 0.55 0.35 0.34 -0.22 -1.07 0.00 0.00 179.97 179.92 1udm h LYS 125 N 0.54 0.00 0.00 0.04 1.63 -2.01 0.87 116.57 117.64 1udm h LYS 125 Ca 0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1udm h LYS 125 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1udm h LYS 125 CO -0.26 0.00 -1.71 0.39 -3.45 0.00 0.00 179.45 174.41 1udm n GLU 126 N -2.32 0.63 0.13 1.90 1.02 0.10 -4.27 120.64 117.83 1udm n GLU 126 Ca -0.01 -0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.09 1udm n GLU 126 Cb 0.37 -1.43 0.49 0.00 -0.02 0.00 0.00 31.44 30.85 1udm n GLU 126 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1udm n LEU 127 N -2.05 0.58 -4.47 -4.62 7.99 0.30 -4.56 117.00 110.17 1udm n LEU 127 Ca -0.02 0.68 -0.46 0.00 -0.01 0.00 0.00 56.01 56.19 1udm n LEU 127 Cb 0.46 -0.64 -0.08 0.00 -0.11 0.00 0.00 43.42 43.05 1udm n LEU 127 CO 0.39 -0.65 1.93 -0.62 -1.51 0.00 0.00 177.39 176.93 1udm n GLU 128 N -2.18 0.82 -0.64 3.23 1.02 -1.19 -4.74 120.64 116.96 1udm n GLU 128 Ca 0.01 0.16 0.50 0.00 -0.02 0.00 0.00 57.16 57.81 1udm n GLU 128 Cb 0.17 -2.45 0.78 0.00 -0.02 0.00 0.00 31.44 29.92 1udm n GLU 128 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1udm n GLU 129 N 8.40 -0.01 -0.18 3.49 0.00 -1.26 0.14 120.64 131.21 1udm n GLU 129 Ca 0.46 1.14 -0.05 0.00 0.00 0.00 0.00 57.16 58.71 1udm n GLU 129 Cb 0.25 -2.50 0.05 0.00 0.00 0.00 0.00 31.44 29.24 1udm n GLU 129 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1udm h ASP 130 N 0.00 0.48 -0.23 -1.84 3.32 -1.93 -1.27 116.42 114.95 1udm h ASP 130 Ca 0.93 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.87 1udm h ASP 130 Cb 3.51 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 42.96 1udm h ASP 130 CO -0.15 0.34 -0.28 0.15 -1.72 0.00 0.00 179.24 177.58 1udm h PHE 131 N 0.61 0.83 0.08 4.55 3.57 0.87 -3.13 116.94 124.32 1udm h PHE 131 Ca 0.23 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1udm h PHE 131 Cb 0.07 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1udm h PHE 131 CO -0.07 0.92 -0.04 0.82 -2.23 0.00 0.00 178.31 177.71 1udm h ILE 132 N 0.62 0.94 -0.08 1.41 1.08 -1.16 -3.14 117.51 117.19 1udm h ILE 132 Ca 0.08 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1udm h ILE 132 Cb 0.79 0.97 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 1udm h ILE 132 CO 0.07 0.01 -0.52 0.03 -0.69 0.00 0.00 178.15 177.05 1udm h ARG 133 N -0.12 -0.59 -1.06 2.37 -0.00 -1.23 -0.19 114.38 113.56 1udm h ARG 133 Ca -0.01 0.04 0.42 0.00 -0.50 0.00 0.00 59.98 59.93 1udm h ARG 133 Cb 0.09 0.13 -0.16 0.00 0.00 0.00 0.00 29.97 30.04 1udm h ARG 133 CO 0.02 -0.39 0.61 0.45 0.00 0.00 0.00 179.97 180.65 1udm n SER 134 N -5.45 0.30 0.28 7.04 2.88 -1.19 -0.32 113.62 117.17 1udm n SER 134 Ca -0.06 1.52 -0.12 0.00 -1.33 0.00 0.00 58.87 58.87 1udm n SER 134 Cb 0.39 -0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 1udm n SER 134 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1udm h GLU 135 N 0.00 -0.74 -0.91 -1.46 4.39 -1.02 -3.19 114.58 111.65 1udm h GLU 135 Ca 0.82 0.05 0.21 0.00 0.34 0.00 0.00 59.36 60.79 1udm h GLU 135 Cb 2.31 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 31.01 1udm h GLU 135 CO -0.66 -0.48 0.44 -0.07 -1.16 0.00 0.00 179.01 177.09 1udm h LEU 136 N -1.18 0.44 -0.86 1.33 3.38 -0.14 0.25 115.31 118.53 1udm h LEU 136 Ca -0.08 0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.21 1udm h LEU 136 Cb 0.61 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 1udm h LEU 136 CO 0.13 0.06 0.40 0.11 0.09 0.00 0.00 178.44 179.23 1udm h LYS 137 N 0.47 0.49 -0.39 1.13 1.57 -1.00 0.12 116.57 118.96 1udm h LYS 137 Ca 0.56 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1udm h LYS 137 Cb 1.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1udm h LYS 137 CO -0.49 0.32 0.00 0.36 -0.57 0.00 0.00 179.45 179.07 1udm n LYS 138 N -4.96 3.74 -0.25 3.15 2.85 0.42 -4.73 118.16 118.37 1udm n LYS 138 Ca 0.19 -2.97 0.04 0.00 -1.05 0.00 0.00 58.31 54.52 1udm n LYS 138 Cb 0.53 -2.01 0.09 0.00 -0.65 0.00 0.00 35.03 32.99 1udm n LYS 138 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1udm n ALA 139 N -0.02 0.15 -3.00 0.58 0.00 0.58 -4.76 120.51 114.04 1udm n ALA 139 Ca 0.24 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.45 1udm n ALA 139 Cb 1.01 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1udm n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udm n GLY 140 N -1.44 3.27 0.00 0.00 0.00 -1.26 -5.04 105.19 100.73 1udm n GLY 140 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1udm n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1udm n GLY 141 N 0.00 4.32 3.44 -0.02 0.00 -1.26 -5.12 105.19 106.55 1udm n GLY 141 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.31 1udm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udm s ALA 142 N -1.46 -2.41 -0.16 4.61 0.00 -1.26 -5.15 121.76 115.94 1udm s ALA 142 Ca 0.00 2.09 -0.04 0.00 0.00 0.00 0.00 51.96 54.01 1udm s ALA 142 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1udm s ALA 142 CO 0.00 -1.06 -0.03 -0.80 0.00 0.00 0.00 175.76 173.87 1udm s ASN 143 N 2.76 4.82 0.00 0.00 0.01 -1.26 -4.97 114.94 116.30 1udm s ASN 143 Ca 0.01 -0.13 0.14 0.00 -0.71 0.00 0.00 52.86 52.17 1udm s ASN 143 Cb -0.11 -1.79 -0.07 0.00 0.41 0.00 0.00 41.25 39.69 1udm s ASN 143 CO -0.18 0.16 0.70 0.00 -1.51 0.00 0.00 177.10 176.27 1udm n TYR 144 N 3.59 0.00 -4.13 2.20 0.18 -1.26 -5.01 117.16 112.72 1udm n TYR 144 Ca -0.17 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.50 1udm n TYR 144 Cb 0.52 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.40 1udm n TYR 144 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1udm s ASP 145 N -2.01 0.12 -0.20 9.48 1.11 -1.26 -5.15 116.67 118.76 1udm s ASP 145 Ca 0.09 -1.23 -0.03 0.00 0.18 0.00 0.00 52.55 51.56 1udm s ASP 145 Cb 0.11 0.41 0.06 0.00 1.07 0.00 0.00 42.92 44.58 1udm s ASP 145 CO 0.46 -0.89 0.05 0.00 1.18 0.00 0.00 175.17 175.97 1udm s ALA 146 N -4.10 0.96 -0.28 5.23 0.00 -1.26 -5.10 121.76 117.21 1udm s ALA 146 Ca 0.32 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 1udm s ALA 146 Cb 0.05 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 22.11 1udm s ALA 146 CO 0.09 -1.21 0.60 -1.14 0.00 0.00 0.00 175.76 174.10 1udm s GLN 147 N 1.88 0.52 1.93 0.00 0.74 -1.26 -5.14 119.66 118.34 1udm s GLN 147 Ca -0.00 1.36 0.00 0.00 0.05 0.00 0.00 55.36 56.77 1udm s GLN 147 Cb -0.17 0.75 0.00 0.00 1.10 0.00 0.00 33.01 34.69 1udm s GLN 147 CO -0.09 -0.22 0.00 0.43 -0.55 0.00 0.00 175.29 174.86 1udm n SER 148 N 5.44 -5.44 -0.80 6.67 7.64 -1.26 -5.27 113.62 120.58 1udm n SER 148 Ca -0.11 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.90 1udm n SER 148 Cb 0.49 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.93 1udm n SER 148 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24